(3S)-3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-1-ethyl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-1-ethyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-1-ethyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-1-ethylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-1-ethylpyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-1-ethyl-pyrrolidine-2,5-quinone Formula: C23H29N3O2+2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C1=O)[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C[C@@H](C1=O)[NH+]2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-2-26-21(27)17-20(23(26)28)24-13-15-25(16-14-24)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,22H,2,13-17H2,1H3/p+2/t20-/m0/s1